3EXH

Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-05-12
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	257.064, 115.612, 127.592
Unit cell angles	90.00, 113.64, 90.00

Refinement procedure

Resolution	50.000 - 2.444
R-factor	0.167
Rwork	0.165
R-free	0.21100
RMSD bond length	0.020
RMSD bond angle	1.842
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.4.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.444	6.650	2.444
Rmerge	0.155	0.050	0.693
Number of reflections	123888
<I/σ(I)>	14.158
Completeness [%]	98.1	99	96.6
Redundancy	6.7	6.2	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	12% PEG 8000, 140mM NaOAC, 50mM BisTris pH6.5, 10% glucose, 50mM Taurine, 8mM MgCl2, and 10mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 298K